2-Pyrazinamine, 5-bromo-3-(1-piperidinyl)- supplier

Name
2-AMINO-5-BROMO-3-PIPERIDIN-1-YLPYRAZINE
EINECS
CAS No. 90674-84-3
Density 1.543 g/cm³
Solubility
Melting Point
Formula C₉H₁₃BrN₄
Boiling Point 391.756 °C at 760 mmHg
Molecular Weight 257.13
Flash Point 190.727 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazinamine,5-bromo-3-(1-piperidinyl)- (9CI);Pyrazine, 2-amino-5-bromo-3-piperidino-(7CI);2-Amino-5-bromo-3-piperidylpyrazine;
PSA 55.04000
LogP 2.45780

2-Pyrazinamine, 5-bromo-3-(1-piperidinyl)- Specification

This chemical is called 2-Pyrazinamine, 5-bromo-3-(1-piperidinyl)-, and its systematic name is 5-bromo-3-(1-piperidyl)pyrazin-2-amine. With the molecular formula of C₉H₁₃BrN₄, its molecular weight is 257.13. The CAS registry number of this chemical is 90674-84-3.

Other characteristics of the 2-Pyrazinamine, 5-bromo-3-(1-piperidinyl)- can be summarised as followings: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.931; (4)ACD/LogD (pH 7.4): 3.936; (5)ACD/BCF (pH 5.5): 569.946; (6)ACD/BCF (pH 7.4): 577.417; (7)ACD/KOC (pH 5.5): 3255.369; (8)ACD/KOC (pH 7.4): 3298.04; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.04 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 59.178 cm³; (15)Molar Volume: 166.614 cm³; (16)Polarizability: 23.46×10^-24cm³; (17)Surface Tension: 63.808 dyne/cm; (18)Density: 1.543 g/cm³; (19)Flash Point: 190.727 °C; (20)Enthalpy of Vaporization: 64.141 kJ/mol; (21)Boiling Point: 391.756 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1c(nc(c(n1)N)N2CCCCC2)Br
2.InChI: InChI=1/C9H13BrN4/c10-7-6-12-8(11)9(13-7)14-4-2-1-3-5-14/h6H,1-5H2,(H2,11,12)
3.InChIKey: QMNJPCTWGYGLDC-UHFFFAOYAX

Product Name

2-AMINO-5-BROMO-3-PIPERIDIN-1-YLPYRAZINE

2-Pyrazinamine, 5-bromo-3-(1-piperidinyl)- Specification

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